⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29028453 | 0.82 | — | — | |
| SCHEMBL1703360 | 0.73 | — | — | |
| SCHEMBL7050734 | 0.73 | — | — | |
| SCHEMBL8369909 | 0.73 | — | — | |
| SCHEMBL4999945 | 0.73 | — | — | |
| SCHEMBL7052726 | 0.73 | — | — | |
| SCHEMBL4993659 | 0.73 | — | — | |
| SCHEMBL3668837 | 0.73 | — | — | |
| SCHEMBL5005245 | 0.71 | — | — | |
| SCHEMBL9143834 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116355118-A | External electron donor with dual activity and application thereof | 山东鲁晶化工科技有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-116355118-A | External electron donor with dual activity and application thereof | 山东鲁晶化工科技有限公司 | 2023-06-30 | — | — | CN | disclosed |